USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 1 ASN N :NH3+ -123:sc= 0.049 (180deg=-0.176) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 91:sc= 0.71 USER MOD Single : A 34 ASN : amide:sc= -4.23! C(o=-4.2!,f=-7.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 56:sc= 1.08 USER MOD Single : A 42 ASN : amide:sc= -7.78! C(o=-7.8!,f=-15!) USER MOD Single : A 43 HIS : no HD1:sc= -15.3! C(o=-15!,f=-15!) USER MOD Single : A 44 SER OG : rot 44:sc= 0.136 USER MOD Single : A 48 ASN : amide:sc= -2.68! C(o=-2.7!,f=-3.1!) USER MOD Single : A 54 SER OG : rot 180:sc= -1.19 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0905 USER MOD Single : A 65 TYR OH : rot 180:sc= -2.14! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.072 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 13.710 9.119 -10.885 1.00 0.00 N ATOM 2 CA ASN A 1 12.426 8.635 -10.300 1.00 0.00 C ATOM 3 C ASN A 1 12.377 8.947 -8.801 1.00 0.00 C ATOM 4 O ASN A 1 13.390 9.215 -8.189 1.00 0.00 O ATOM 5 CB ASN A 1 12.429 7.125 -10.535 1.00 0.00 C ATOM 6 CG ASN A 1 11.968 6.830 -11.964 1.00 0.00 C ATOM 7 OD1 ASN A 1 10.816 6.519 -12.190 1.00 0.00 O ATOM 8 ND2 ASN A 1 12.825 6.916 -12.944 1.00 0.00 N ATOM 0 H1 ASN A 1 13.510 9.779 -11.663 1.00 0.00 H new ATOM 0 H2 ASN A 1 14.264 9.606 -10.152 1.00 0.00 H new ATOM 0 H3 ASN A 1 14.253 8.310 -11.248 1.00 0.00 H new ATOM 0 HA ASN A 1 11.558 9.115 -10.752 1.00 0.00 H new ATOM 0 HB2 ASN A 1 13.429 6.723 -10.374 1.00 0.00 H new ATOM 0 HB3 ASN A 1 11.769 6.634 -9.820 1.00 0.00 H new ATOM 0 HD21 ASN A 1 12.527 6.722 -13.900 1.00 0.00 H new ATOM 0 HD22 ASN A 1 13.792 7.177 -12.754 1.00 0.00 H new ATOM 17 N PRO A 2 11.188 8.902 -8.264 1.00 0.00 N ATOM 18 CA PRO A 2 10.991 9.186 -6.822 1.00 0.00 C ATOM 19 C PRO A 2 11.501 8.019 -5.971 1.00 0.00 C ATOM 20 O PRO A 2 11.658 6.913 -6.446 1.00 0.00 O ATOM 21 CB PRO A 2 9.478 9.334 -6.690 1.00 0.00 C ATOM 22 CG PRO A 2 8.910 8.554 -7.832 1.00 0.00 C ATOM 23 CD PRO A 2 9.927 8.588 -8.945 1.00 0.00 C ATOM 0 HA PRO A 2 11.533 10.068 -6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.126 8.947 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.178 10.381 -6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.703 7.527 -7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.965 8.986 -8.161 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.982 7.632 -9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.677 9.343 -9.691 1.00 0.00 H new ATOM 31 N LEU A 3 11.761 8.260 -4.714 1.00 0.00 N ATOM 32 CA LEU A 3 12.260 7.167 -3.832 1.00 0.00 C ATOM 33 C LEU A 3 11.121 6.202 -3.491 1.00 0.00 C ATOM 34 O LEU A 3 10.009 6.349 -3.961 1.00 0.00 O ATOM 35 CB LEU A 3 12.759 7.873 -2.570 1.00 0.00 C ATOM 36 CG LEU A 3 14.257 7.618 -2.401 1.00 0.00 C ATOM 37 CD1 LEU A 3 14.757 8.332 -1.144 1.00 0.00 C ATOM 38 CD2 LEU A 3 14.506 6.114 -2.265 1.00 0.00 C ATOM 0 H LEU A 3 11.649 9.167 -4.260 1.00 0.00 H new ATOM 0 HA LEU A 3 13.045 6.578 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.567 8.944 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.217 7.508 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 3 14.791 7.998 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.825 8.151 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.579 9.403 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.223 7.952 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.574 5.931 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.972 5.734 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.149 5.604 -3.160 1.00 0.00 H new ATOM 50 N ILE A 4 11.388 5.215 -2.680 1.00 0.00 N ATOM 51 CA ILE A 4 10.317 4.242 -2.313 1.00 0.00 C ATOM 52 C ILE A 4 9.106 4.988 -1.737 1.00 0.00 C ATOM 53 O ILE A 4 9.232 6.086 -1.234 1.00 0.00 O ATOM 54 CB ILE A 4 10.969 3.316 -1.267 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.227 1.951 -1.903 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.056 3.134 -0.045 1.00 0.00 C ATOM 57 CD1 ILE A 4 11.822 1.011 -0.856 1.00 0.00 C ATOM 0 H ILE A 4 12.299 5.039 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 4 9.946 3.674 -3.166 1.00 0.00 H new ATOM 0 HB ILE A 4 11.904 3.769 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.297 1.537 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 4 11.910 2.053 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.541 2.476 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.868 4.103 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.110 2.693 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 4 12.008 0.036 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 4 12.760 1.425 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.123 0.901 -0.027 1.00 0.00 H new ATOM 69 N PRO A 5 7.973 4.350 -1.827 1.00 0.00 N ATOM 70 CA PRO A 5 6.724 4.942 -1.300 1.00 0.00 C ATOM 71 C PRO A 5 6.679 4.809 0.223 1.00 0.00 C ATOM 72 O PRO A 5 7.480 4.119 0.821 1.00 0.00 O ATOM 73 CB PRO A 5 5.629 4.099 -1.943 1.00 0.00 C ATOM 74 CG PRO A 5 6.272 2.783 -2.245 1.00 0.00 C ATOM 75 CD PRO A 5 7.751 3.029 -2.425 1.00 0.00 C ATOM 0 HA PRO A 5 6.625 6.005 -1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.780 3.977 -1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.251 4.570 -2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.097 2.076 -1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.844 2.345 -3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.345 2.262 -1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.031 3.017 -3.478 1.00 0.00 H new ATOM 83 N ALA A 6 5.746 5.462 0.853 1.00 0.00 N ATOM 84 CA ALA A 6 5.640 5.374 2.333 1.00 0.00 C ATOM 85 C ALA A 6 4.747 4.195 2.729 1.00 0.00 C ATOM 86 O ALA A 6 4.837 3.673 3.822 1.00 0.00 O ATOM 87 CB ALA A 6 5.009 6.697 2.765 1.00 0.00 C ATOM 0 H ALA A 6 5.049 6.056 0.404 1.00 0.00 H new ATOM 0 HA ALA A 6 6.607 5.212 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.897 6.710 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.649 7.523 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.030 6.803 2.298 1.00 0.00 H new ATOM 93 N ILE A 7 3.879 3.778 1.848 1.00 0.00 N ATOM 94 CA ILE A 7 2.972 2.637 2.172 1.00 0.00 C ATOM 95 C ILE A 7 3.771 1.418 2.647 1.00 0.00 C ATOM 96 O ILE A 7 3.554 0.908 3.728 1.00 0.00 O ATOM 97 CB ILE A 7 2.219 2.326 0.869 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.614 0.921 0.951 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.168 2.393 -0.334 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.855 0.768 2.270 1.00 0.00 C ATOM 0 H ILE A 7 3.758 4.177 0.917 1.00 0.00 H new ATOM 0 HA ILE A 7 2.287 2.887 2.982 1.00 0.00 H new ATOM 0 HB ILE A 7 1.430 3.067 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.941 0.754 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.401 0.170 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.615 2.170 -1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.596 3.393 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.968 1.664 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.425 -0.232 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.541 0.917 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.058 1.510 2.319 1.00 0.00 H new ATOM 112 N TYR A 8 4.686 0.942 1.852 1.00 0.00 N ATOM 113 CA TYR A 8 5.485 -0.246 2.263 1.00 0.00 C ATOM 114 C TYR A 8 6.016 -0.058 3.683 1.00 0.00 C ATOM 115 O TYR A 8 6.273 -1.013 4.389 1.00 0.00 O ATOM 116 CB TYR A 8 6.634 -0.319 1.258 1.00 0.00 C ATOM 117 CG TYR A 8 6.083 -0.552 -0.131 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.857 -1.211 -0.306 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.799 -0.107 -1.248 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.352 -1.422 -1.592 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.292 -0.318 -2.536 1.00 0.00 C ATOM 122 CZ TYR A 8 5.069 -0.976 -2.708 1.00 0.00 C ATOM 123 OH TYR A 8 4.570 -1.183 -3.977 1.00 0.00 O ATOM 0 H TYR A 8 4.916 1.324 0.935 1.00 0.00 H new ATOM 0 HA TYR A 8 4.894 -1.162 2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.209 0.607 1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.316 -1.125 1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.303 -1.556 0.554 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.744 0.400 -1.116 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.408 -1.930 -1.725 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.845 0.027 -3.397 1.00 0.00 H new ATOM 0 HH TYR A 8 5.191 -0.811 -4.637 1.00 0.00 H new ATOM 133 N ILE A 9 6.172 1.161 4.115 1.00 0.00 N ATOM 134 CA ILE A 9 6.673 1.391 5.498 1.00 0.00 C ATOM 135 C ILE A 9 5.573 1.058 6.502 1.00 0.00 C ATOM 136 O ILE A 9 4.455 1.519 6.388 1.00 0.00 O ATOM 137 CB ILE A 9 7.037 2.874 5.559 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.005 3.207 4.422 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.704 3.182 6.900 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.575 4.611 4.631 1.00 0.00 C ATOM 0 H ILE A 9 5.976 2.004 3.575 1.00 0.00 H new ATOM 0 HA ILE A 9 7.531 0.765 5.740 1.00 0.00 H new ATOM 0 HB ILE A 9 6.133 3.474 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.813 2.476 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.489 3.151 3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.963 4.240 6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.016 2.944 7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.608 2.582 7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.265 4.848 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.762 5.336 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.106 4.650 5.582 1.00 0.00 H new ATOM 152 N GLY A 10 5.870 0.243 7.475 1.00 0.00 N ATOM 153 CA GLY A 10 4.827 -0.132 8.466 1.00 0.00 C ATOM 154 C GLY A 10 3.664 -0.766 7.710 1.00 0.00 C ATOM 155 O GLY A 10 2.514 -0.630 8.081 1.00 0.00 O ATOM 0 H GLY A 10 6.787 -0.178 7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.231 -0.831 9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.490 0.747 9.016 1.00 0.00 H new ATOM 159 N ALA A 11 3.959 -1.452 6.639 1.00 0.00 N ATOM 160 CA ALA A 11 2.871 -2.090 5.837 1.00 0.00 C ATOM 161 C ALA A 11 3.029 -3.612 5.830 1.00 0.00 C ATOM 162 O ALA A 11 3.675 -4.181 6.686 1.00 0.00 O ATOM 163 CB ALA A 11 3.043 -1.529 4.426 1.00 0.00 C ATOM 0 H ALA A 11 4.904 -1.599 6.284 1.00 0.00 H new ATOM 0 HA ALA A 11 1.883 -1.880 6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.279 -1.949 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.942 -0.444 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.031 -1.793 4.047 1.00 0.00 H new ATOM 169 N THR A 12 2.440 -4.274 4.870 1.00 0.00 N ATOM 170 CA THR A 12 2.558 -5.762 4.812 1.00 0.00 C ATOM 171 C THR A 12 2.408 -6.240 3.367 1.00 0.00 C ATOM 172 O THR A 12 1.320 -6.501 2.910 1.00 0.00 O ATOM 173 CB THR A 12 1.407 -6.288 5.672 1.00 0.00 C ATOM 174 OG1 THR A 12 1.752 -6.173 7.046 1.00 0.00 O ATOM 175 CG2 THR A 12 1.136 -7.757 5.334 1.00 0.00 C ATOM 0 H THR A 12 1.884 -3.852 4.126 1.00 0.00 H new ATOM 0 HA THR A 12 3.525 -6.116 5.170 1.00 0.00 H new ATOM 0 HB THR A 12 0.510 -5.702 5.470 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.015 -6.508 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.316 -8.127 5.949 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.868 -7.845 4.281 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.031 -8.347 5.531 1.00 0.00 H new ATOM 183 N VAL A 13 3.487 -6.355 2.646 1.00 0.00 N ATOM 184 CA VAL A 13 3.384 -6.814 1.230 1.00 0.00 C ATOM 185 C VAL A 13 3.506 -8.338 1.150 1.00 0.00 C ATOM 186 O VAL A 13 3.939 -8.985 2.082 1.00 0.00 O ATOM 187 CB VAL A 13 4.560 -6.152 0.508 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.588 -4.652 0.815 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.868 -6.789 0.983 1.00 0.00 C ATOM 0 H VAL A 13 4.432 -6.153 2.972 1.00 0.00 H new ATOM 0 HA VAL A 13 2.425 -6.547 0.786 1.00 0.00 H new ATOM 0 HB VAL A 13 4.446 -6.295 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.428 -4.190 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.658 -4.194 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.698 -4.502 1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.708 -6.320 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.973 -6.646 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.856 -7.856 0.758 1.00 0.00 H new ATOM 199 N GLY A 14 3.133 -8.911 0.038 1.00 0.00 N ATOM 200 CA GLY A 14 3.233 -10.390 -0.109 1.00 0.00 C ATOM 201 C GLY A 14 4.608 -10.750 -0.674 1.00 0.00 C ATOM 202 O GLY A 14 5.543 -9.981 -0.568 1.00 0.00 O ATOM 0 H GLY A 14 2.763 -8.418 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.086 -10.874 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.448 -10.755 -0.771 1.00 0.00 H new ATOM 206 N PRO A 15 4.684 -11.911 -1.263 1.00 0.00 N ATOM 207 CA PRO A 15 5.958 -12.381 -1.857 1.00 0.00 C ATOM 208 C PRO A 15 6.239 -11.632 -3.163 1.00 0.00 C ATOM 209 O PRO A 15 7.351 -11.219 -3.427 1.00 0.00 O ATOM 210 CB PRO A 15 5.706 -13.863 -2.122 1.00 0.00 C ATOM 211 CG PRO A 15 4.220 -13.987 -2.255 1.00 0.00 C ATOM 212 CD PRO A 15 3.602 -12.887 -1.428 1.00 0.00 C ATOM 0 HA PRO A 15 6.822 -12.212 -1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.212 -14.193 -3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.082 -14.479 -1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.919 -13.898 -3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.883 -14.964 -1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.741 -12.446 -1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.252 -13.261 -0.466 1.00 0.00 H new ATOM 220 N SER A 16 5.236 -11.451 -3.980 1.00 0.00 N ATOM 221 CA SER A 16 5.444 -10.725 -5.265 1.00 0.00 C ATOM 222 C SER A 16 5.855 -9.277 -4.990 1.00 0.00 C ATOM 223 O SER A 16 6.901 -8.825 -5.418 1.00 0.00 O ATOM 224 CB SER A 16 4.090 -10.774 -5.970 1.00 0.00 C ATOM 225 OG SER A 16 4.285 -11.071 -7.346 1.00 0.00 O ATOM 0 H SER A 16 4.283 -11.774 -3.813 1.00 0.00 H new ATOM 0 HA SER A 16 6.234 -11.170 -5.870 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.455 -11.531 -5.510 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.577 -9.819 -5.862 1.00 0.00 H new ATOM 0 HG SER A 16 3.417 -11.105 -7.800 1.00 0.00 H new ATOM 231 N VAL A 17 5.044 -8.545 -4.275 1.00 0.00 N ATOM 232 CA VAL A 17 5.395 -7.130 -3.970 1.00 0.00 C ATOM 233 C VAL A 17 6.730 -7.078 -3.229 1.00 0.00 C ATOM 234 O VAL A 17 7.625 -6.339 -3.590 1.00 0.00 O ATOM 235 CB VAL A 17 4.264 -6.621 -3.078 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.576 -5.194 -2.620 1.00 0.00 C ATOM 237 CG2 VAL A 17 2.952 -6.625 -3.867 1.00 0.00 C ATOM 0 H VAL A 17 4.156 -8.866 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 17 5.501 -6.523 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 17 4.169 -7.270 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.769 -4.831 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.511 -5.188 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.671 -4.545 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.144 -6.262 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.049 -5.976 -4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.728 -7.640 -4.195 1.00 0.00 H new ATOM 247 N TRP A 18 6.876 -7.865 -2.200 1.00 0.00 N ATOM 248 CA TRP A 18 8.160 -7.866 -1.444 1.00 0.00 C ATOM 249 C TRP A 18 9.333 -7.928 -2.421 1.00 0.00 C ATOM 250 O TRP A 18 10.105 -7.000 -2.543 1.00 0.00 O ATOM 251 CB TRP A 18 8.116 -9.129 -0.586 1.00 0.00 C ATOM 252 CG TRP A 18 9.417 -9.287 0.133 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.469 -10.010 -0.316 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.824 -8.723 1.414 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.495 -9.927 0.608 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.146 -9.145 1.691 1.00 0.00 C ATOM 257 CE3 TRP A 18 9.181 -7.896 2.353 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.806 -8.760 2.860 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.843 -7.507 3.528 1.00 0.00 C ATOM 260 CH2 TRP A 18 11.154 -7.938 3.781 1.00 0.00 C ATOM 0 H TRP A 18 6.164 -8.506 -1.850 1.00 0.00 H new ATOM 0 HA TRP A 18 8.287 -6.969 -0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.297 -9.067 0.131 1.00 0.00 H new ATOM 0 HB3 TRP A 18 7.926 -10.001 -1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.502 -10.562 -1.244 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.399 -10.387 0.502 1.00 0.00 H new ATOM 0 HE3 TRP A 18 8.172 -7.558 2.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.815 -9.096 3.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 9.340 -6.872 4.242 1.00 0.00 H new ATOM 0 HH2 TRP A 18 11.658 -7.634 4.687 1.00 0.00 H new ATOM 271 N ALA A 19 9.467 -9.021 -3.118 1.00 0.00 N ATOM 272 CA ALA A 19 10.588 -9.154 -4.093 1.00 0.00 C ATOM 273 C ALA A 19 10.763 -7.854 -4.883 1.00 0.00 C ATOM 274 O ALA A 19 11.866 -7.441 -5.180 1.00 0.00 O ATOM 275 CB ALA A 19 10.170 -10.294 -5.023 1.00 0.00 C ATOM 0 H ALA A 19 8.849 -9.830 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 19 11.540 -9.356 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.945 -10.455 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.032 -11.206 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.234 -10.035 -5.519 1.00 0.00 H new ATOM 281 N TYR A 20 9.684 -7.208 -5.227 1.00 0.00 N ATOM 282 CA TYR A 20 9.789 -5.937 -6.000 1.00 0.00 C ATOM 283 C TYR A 20 10.516 -4.870 -5.175 1.00 0.00 C ATOM 284 O TYR A 20 11.586 -4.416 -5.531 1.00 0.00 O ATOM 285 CB TYR A 20 8.345 -5.514 -6.269 1.00 0.00 C ATOM 286 CG TYR A 20 8.331 -4.355 -7.237 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.848 -3.113 -6.849 1.00 0.00 C ATOM 288 CD2 TYR A 20 7.801 -4.522 -8.522 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.835 -2.038 -7.745 1.00 0.00 C ATOM 290 CE2 TYR A 20 7.788 -3.445 -9.419 1.00 0.00 C ATOM 291 CZ TYR A 20 8.305 -2.205 -9.031 1.00 0.00 C ATOM 292 OH TYR A 20 8.293 -1.145 -9.914 1.00 0.00 O ATOM 0 H TYR A 20 8.733 -7.505 -5.007 1.00 0.00 H new ATOM 0 HA TYR A 20 10.355 -6.064 -6.923 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.780 -6.351 -6.679 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.859 -5.228 -5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.257 -2.984 -5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.402 -5.480 -8.822 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.233 -1.080 -7.445 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.379 -3.573 -10.410 1.00 0.00 H new ATOM 0 HH TYR A 20 7.892 -1.430 -10.762 1.00 0.00 H new ATOM 302 N LEU A 21 9.942 -4.465 -4.076 1.00 0.00 N ATOM 303 CA LEU A 21 10.595 -3.428 -3.228 1.00 0.00 C ATOM 304 C LEU A 21 12.076 -3.762 -3.025 1.00 0.00 C ATOM 305 O LEU A 21 12.943 -2.940 -3.242 1.00 0.00 O ATOM 306 CB LEU A 21 9.842 -3.482 -1.897 1.00 0.00 C ATOM 307 CG LEU A 21 10.039 -2.165 -1.144 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.374 -2.259 0.231 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.535 -1.902 -0.966 1.00 0.00 C ATOM 0 H LEU A 21 9.047 -4.808 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 21 10.557 -2.437 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.781 -3.656 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.205 -4.315 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 21 9.589 -1.351 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.514 -1.321 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.308 -2.451 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.825 -3.073 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.678 -0.964 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.983 -2.717 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.012 -1.837 -1.944 1.00 0.00 H new ATOM 321 N VAL A 22 12.372 -4.963 -2.609 1.00 0.00 N ATOM 322 CA VAL A 22 13.796 -5.349 -2.393 1.00 0.00 C ATOM 323 C VAL A 22 14.639 -4.961 -3.607 1.00 0.00 C ATOM 324 O VAL A 22 15.646 -4.291 -3.490 1.00 0.00 O ATOM 325 CB VAL A 22 13.772 -6.867 -2.217 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.206 -7.395 -2.127 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.020 -7.219 -0.932 1.00 0.00 C ATOM 0 H VAL A 22 11.689 -5.694 -2.409 1.00 0.00 H new ATOM 0 HA VAL A 22 14.234 -4.846 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 22 13.270 -7.323 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.188 -8.478 -2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.744 -7.145 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.709 -6.939 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.002 -8.302 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.523 -6.762 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.998 -6.844 -0.994 1.00 0.00 H new ATOM 337 N ALA A 23 14.233 -5.376 -4.772 1.00 0.00 N ATOM 338 CA ALA A 23 15.008 -5.031 -5.999 1.00 0.00 C ATOM 339 C ALA A 23 15.305 -3.530 -6.029 1.00 0.00 C ATOM 340 O ALA A 23 16.397 -3.111 -6.357 1.00 0.00 O ATOM 341 CB ALA A 23 14.100 -5.423 -7.164 1.00 0.00 C ATOM 0 H ALA A 23 13.398 -5.940 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 23 15.968 -5.546 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.600 -5.200 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.882 -6.490 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.169 -4.860 -7.105 1.00 0.00 H new ATOM 347 N LEU A 24 14.341 -2.718 -5.690 1.00 0.00 N ATOM 348 CA LEU A 24 14.570 -1.246 -5.698 1.00 0.00 C ATOM 349 C LEU A 24 15.705 -0.883 -4.737 1.00 0.00 C ATOM 350 O LEU A 24 16.547 -0.061 -5.037 1.00 0.00 O ATOM 351 CB LEU A 24 13.249 -0.642 -5.224 1.00 0.00 C ATOM 352 CG LEU A 24 13.076 0.753 -5.826 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.202 0.674 -7.349 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.693 1.297 -5.460 1.00 0.00 C ATOM 0 H LEU A 24 13.405 -3.011 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 24 14.859 -0.875 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.418 -1.282 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.234 -0.584 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 24 13.847 1.415 -5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.078 1.669 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.185 0.285 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.432 0.011 -7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.568 2.291 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.924 0.633 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.600 1.355 -4.376 1.00 0.00 H new ATOM 366 N VAL A 25 15.731 -1.491 -3.583 1.00 0.00 N ATOM 367 CA VAL A 25 16.810 -1.183 -2.598 1.00 0.00 C ATOM 368 C VAL A 25 17.512 -2.478 -2.164 1.00 0.00 C ATOM 369 O VAL A 25 18.515 -2.865 -2.729 1.00 0.00 O ATOM 370 CB VAL A 25 16.101 -0.496 -1.413 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.699 -1.080 -1.219 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.911 -0.691 -0.128 1.00 0.00 C ATOM 0 H VAL A 25 15.052 -2.188 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 25 17.584 -0.538 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 25 16.020 0.568 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.212 -0.585 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.111 -0.923 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.775 -2.148 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.401 -0.202 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 25 17.008 -1.756 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.902 -0.254 -0.253 1.00 0.00 H new ATOM 382 N GLY A 26 16.999 -3.147 -1.167 1.00 0.00 N ATOM 383 CA GLY A 26 17.647 -4.407 -0.708 1.00 0.00 C ATOM 384 C GLY A 26 16.920 -4.934 0.530 1.00 0.00 C ATOM 385 O GLY A 26 16.085 -4.265 1.104 1.00 0.00 O ATOM 0 H GLY A 26 16.161 -2.876 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.621 -5.152 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.696 -4.225 -0.476 1.00 0.00 H new ATOM 389 N ALA A 27 17.230 -6.132 0.945 1.00 0.00 N ATOM 390 CA ALA A 27 16.554 -6.707 2.141 1.00 0.00 C ATOM 391 C ALA A 27 16.895 -5.896 3.395 1.00 0.00 C ATOM 392 O ALA A 27 16.177 -5.924 4.374 1.00 0.00 O ATOM 393 CB ALA A 27 17.101 -8.130 2.259 1.00 0.00 C ATOM 0 H ALA A 27 17.923 -6.738 0.506 1.00 0.00 H new ATOM 0 HA ALA A 27 15.468 -6.691 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.650 -8.623 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.861 -8.688 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.183 -8.094 2.387 1.00 0.00 H new ATOM 399 N ALA A 28 17.982 -5.174 3.378 1.00 0.00 N ATOM 400 CA ALA A 28 18.355 -4.371 4.573 1.00 0.00 C ATOM 401 C ALA A 28 17.390 -3.198 4.731 1.00 0.00 C ATOM 402 O ALA A 28 16.669 -3.100 5.704 1.00 0.00 O ATOM 403 CB ALA A 28 19.773 -3.871 4.294 1.00 0.00 C ATOM 0 H ALA A 28 18.626 -5.107 2.589 1.00 0.00 H new ATOM 0 HA ALA A 28 18.308 -4.951 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 28 20.118 -3.268 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.440 -4.723 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.773 -3.265 3.388 1.00 0.00 H new ATOM 409 N ALA A 29 17.361 -2.311 3.777 1.00 0.00 N ATOM 410 CA ALA A 29 16.429 -1.154 3.875 1.00 0.00 C ATOM 411 C ALA A 29 14.990 -1.667 3.881 1.00 0.00 C ATOM 412 O ALA A 29 14.082 -1.005 4.345 1.00 0.00 O ATOM 413 CB ALA A 29 16.697 -0.312 2.628 1.00 0.00 C ATOM 0 H ALA A 29 17.939 -2.336 2.937 1.00 0.00 H new ATOM 0 HA ALA A 29 16.575 -0.572 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.044 0.561 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.738 0.013 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.500 -0.908 1.737 1.00 0.00 H new ATOM 419 N VAL A 30 14.779 -2.850 3.370 1.00 0.00 N ATOM 420 CA VAL A 30 13.403 -3.415 3.348 1.00 0.00 C ATOM 421 C VAL A 30 12.997 -3.848 4.759 1.00 0.00 C ATOM 422 O VAL A 30 11.854 -3.725 5.153 1.00 0.00 O ATOM 423 CB VAL A 30 13.485 -4.624 2.416 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.261 -5.519 2.626 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.520 -4.145 0.963 1.00 0.00 C ATOM 0 H VAL A 30 15.501 -3.448 2.968 1.00 0.00 H new ATOM 0 HA VAL A 30 12.661 -2.693 3.008 1.00 0.00 H new ATOM 0 HB VAL A 30 14.390 -5.190 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.322 -6.380 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.234 -5.861 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.355 -4.954 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.579 -5.006 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.615 -3.578 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.392 -3.509 0.811 1.00 0.00 H new ATOM 435 N THR A 31 13.929 -4.351 5.526 1.00 0.00 N ATOM 436 CA THR A 31 13.595 -4.788 6.913 1.00 0.00 C ATOM 437 C THR A 31 13.511 -3.572 7.838 1.00 0.00 C ATOM 438 O THR A 31 12.719 -3.531 8.759 1.00 0.00 O ATOM 439 CB THR A 31 14.749 -5.702 7.329 1.00 0.00 C ATOM 440 OG1 THR A 31 15.024 -6.621 6.282 1.00 0.00 O ATOM 441 CG2 THR A 31 14.364 -6.469 8.595 1.00 0.00 C ATOM 0 H THR A 31 14.904 -4.478 5.253 1.00 0.00 H new ATOM 0 HA THR A 31 12.633 -5.298 6.968 1.00 0.00 H new ATOM 0 HB THR A 31 15.636 -5.100 7.527 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.703 -6.243 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.187 -7.120 8.890 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.153 -5.763 9.398 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.477 -7.072 8.400 1.00 0.00 H new ATOM 449 N ALA A 32 14.323 -2.578 7.599 1.00 0.00 N ATOM 450 CA ALA A 32 14.288 -1.363 8.462 1.00 0.00 C ATOM 451 C ALA A 32 13.047 -0.526 8.143 1.00 0.00 C ATOM 452 O ALA A 32 12.576 0.240 8.960 1.00 0.00 O ATOM 453 CB ALA A 32 15.561 -0.592 8.110 1.00 0.00 C ATOM 0 H ALA A 32 15.009 -2.555 6.844 1.00 0.00 H new ATOM 0 HA ALA A 32 14.241 -1.609 9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.610 0.320 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.432 -1.212 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.549 -0.334 7.051 1.00 0.00 H new ATOM 459 N ALA A 33 12.514 -0.667 6.960 1.00 0.00 N ATOM 460 CA ALA A 33 11.302 0.120 6.589 1.00 0.00 C ATOM 461 C ALA A 33 10.051 -0.508 7.208 1.00 0.00 C ATOM 462 O ALA A 33 8.943 -0.077 6.962 1.00 0.00 O ATOM 463 CB ALA A 33 11.238 0.052 5.063 1.00 0.00 C ATOM 0 H ALA A 33 12.864 -1.292 6.234 1.00 0.00 H new ATOM 0 HA ALA A 33 11.351 1.147 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.370 0.609 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.144 0.486 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.154 -0.988 4.748 1.00 0.00 H new ATOM 469 N ASN A 34 10.220 -1.524 8.011 1.00 0.00 N ATOM 470 CA ASN A 34 9.041 -2.180 8.647 1.00 0.00 C ATOM 471 C ASN A 34 8.080 -2.711 7.575 1.00 0.00 C ATOM 472 O ASN A 34 6.976 -2.220 7.403 1.00 0.00 O ATOM 473 CB ASN A 34 8.378 -1.086 9.486 1.00 0.00 C ATOM 474 CG ASN A 34 7.162 -1.664 10.211 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.823 -2.817 10.031 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.485 -0.906 11.030 1.00 0.00 N ATOM 0 H ASN A 34 11.124 -1.928 8.254 1.00 0.00 H new ATOM 0 HA ASN A 34 9.326 -3.037 9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.089 -0.686 10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.073 -0.257 8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.672 -1.282 11.518 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.769 0.062 11.182 1.00 0.00 H new ATOM 483 N ILE A 35 8.493 -3.723 6.859 1.00 0.00 N ATOM 484 CA ILE A 35 7.616 -4.307 5.805 1.00 0.00 C ATOM 485 C ILE A 35 7.293 -5.763 6.150 1.00 0.00 C ATOM 486 O ILE A 35 8.144 -6.628 6.099 1.00 0.00 O ATOM 487 CB ILE A 35 8.432 -4.231 4.515 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.602 -2.767 4.104 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.700 -4.989 3.405 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.898 -2.607 3.307 1.00 0.00 C ATOM 0 H ILE A 35 9.404 -4.171 6.960 1.00 0.00 H new ATOM 0 HA ILE A 35 6.668 -3.777 5.713 1.00 0.00 H new ATOM 0 HB ILE A 35 9.412 -4.679 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.751 -2.446 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.626 -2.130 4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.281 -4.936 2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.577 -6.032 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.720 -4.540 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.019 -1.564 3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.744 -2.911 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.856 -3.232 2.415 1.00 0.00 H new ATOM 502 N ARG A 36 6.070 -6.038 6.508 1.00 0.00 N ATOM 503 CA ARG A 36 5.692 -7.435 6.866 1.00 0.00 C ATOM 504 C ARG A 36 5.369 -8.243 5.608 1.00 0.00 C ATOM 505 O ARG A 36 4.801 -7.736 4.660 1.00 0.00 O ATOM 506 CB ARG A 36 4.445 -7.292 7.741 1.00 0.00 C ATOM 507 CG ARG A 36 4.858 -7.189 9.211 1.00 0.00 C ATOM 508 CD ARG A 36 3.773 -7.816 10.089 1.00 0.00 C ATOM 509 NE ARG A 36 4.488 -8.821 10.925 1.00 0.00 N ATOM 510 CZ ARG A 36 3.817 -9.584 11.745 1.00 0.00 C ATOM 511 NH1 ARG A 36 3.006 -10.492 11.276 1.00 0.00 N ATOM 512 NH2 ARG A 36 3.959 -9.439 13.034 1.00 0.00 N ATOM 0 H ARG A 36 5.314 -5.355 6.568 1.00 0.00 H new ATOM 0 HA ARG A 36 6.499 -7.959 7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.883 -6.406 7.448 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.787 -8.149 7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.809 -7.698 9.370 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.006 -6.145 9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.283 -7.065 10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.998 -8.286 9.484 1.00 0.00 H new ATOM 0 HE ARG A 36 5.502 -8.913 10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.896 -10.606 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.482 -11.088 11.917 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.594 -8.730 13.401 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.435 -10.035 13.675 1.00 0.00 H new ATOM 526 N ARG A 37 5.721 -9.499 5.596 1.00 0.00 N ATOM 527 CA ARG A 37 5.427 -10.344 4.405 1.00 0.00 C ATOM 528 C ARG A 37 4.034 -10.961 4.539 1.00 0.00 C ATOM 529 O ARG A 37 3.550 -11.196 5.629 1.00 0.00 O ATOM 530 CB ARG A 37 6.503 -11.431 4.411 1.00 0.00 C ATOM 531 CG ARG A 37 7.500 -11.165 3.282 1.00 0.00 C ATOM 532 CD ARG A 37 8.134 -12.485 2.836 1.00 0.00 C ATOM 533 NE ARG A 37 9.492 -12.114 2.350 1.00 0.00 N ATOM 534 CZ ARG A 37 10.551 -12.630 2.913 1.00 0.00 C ATOM 535 NH1 ARG A 37 11.072 -12.062 3.966 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.087 -13.714 2.424 1.00 0.00 N ATOM 0 H ARG A 37 6.200 -9.977 6.360 1.00 0.00 H new ATOM 0 HA ARG A 37 5.437 -9.774 3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.019 -11.442 5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.045 -12.412 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.995 -10.690 2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.273 -10.475 3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.190 -13.195 3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.548 -12.958 2.048 1.00 0.00 H new ATOM 0 HE ARG A 37 9.595 -11.457 1.577 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.652 -11.215 4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.899 -12.465 4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.679 -14.159 1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.914 -14.117 2.864 1.00 0.00 H new ATOM 550 N ALA A 38 3.381 -11.221 3.441 1.00 0.00 N ATOM 551 CA ALA A 38 2.016 -11.817 3.511 1.00 0.00 C ATOM 552 C ALA A 38 1.956 -13.110 2.693 1.00 0.00 C ATOM 553 O ALA A 38 2.797 -13.367 1.855 1.00 0.00 O ATOM 554 CB ALA A 38 1.094 -10.756 2.909 1.00 0.00 C ATOM 0 H ALA A 38 3.732 -11.047 2.499 1.00 0.00 H new ATOM 0 HA ALA A 38 1.730 -12.077 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.066 -11.117 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.164 -9.839 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.394 -10.554 1.881 1.00 0.00 H new ATOM 560 N SER A 39 0.967 -13.927 2.934 1.00 0.00 N ATOM 561 CA SER A 39 0.850 -15.206 2.174 1.00 0.00 C ATOM 562 C SER A 39 0.880 -14.934 0.669 1.00 0.00 C ATOM 563 O SER A 39 1.266 -15.777 -0.117 1.00 0.00 O ATOM 564 CB SER A 39 -0.501 -15.787 2.587 1.00 0.00 C ATOM 565 OG SER A 39 -0.381 -17.195 2.735 1.00 0.00 O ATOM 0 H SER A 39 0.234 -13.765 3.625 1.00 0.00 H new ATOM 0 HA SER A 39 1.672 -15.890 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.832 -15.338 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.256 -15.552 1.837 1.00 0.00 H new ATOM 0 HG SER A 39 -1.246 -17.571 3.002 1.00 0.00 H new ATOM 571 N SER A 40 0.475 -13.763 0.260 1.00 0.00 N ATOM 572 CA SER A 40 0.480 -13.440 -1.197 1.00 0.00 C ATOM 573 C SER A 40 0.194 -11.951 -1.409 1.00 0.00 C ATOM 574 O SER A 40 0.174 -11.174 -0.476 1.00 0.00 O ATOM 575 CB SER A 40 -0.639 -14.291 -1.793 1.00 0.00 C ATOM 576 OG SER A 40 -0.120 -15.565 -2.152 1.00 0.00 O ATOM 0 H SER A 40 0.141 -13.016 0.870 1.00 0.00 H new ATOM 0 HA SER A 40 1.443 -13.647 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.448 -14.405 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.060 -13.797 -2.669 1.00 0.00 H new ATOM 0 HG SER A 40 0.297 -15.981 -1.369 1.00 0.00 H new ATOM 582 N ASP A 41 -0.030 -11.549 -2.630 1.00 0.00 N ATOM 583 CA ASP A 41 -0.318 -10.111 -2.900 1.00 0.00 C ATOM 584 C ASP A 41 -1.608 -9.696 -2.190 1.00 0.00 C ATOM 585 O ASP A 41 -1.909 -8.526 -2.059 1.00 0.00 O ATOM 586 CB ASP A 41 -0.489 -10.016 -4.417 1.00 0.00 C ATOM 587 CG ASP A 41 0.644 -10.777 -5.109 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.781 -10.610 -4.698 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.356 -11.513 -6.038 1.00 0.00 O ATOM 0 H ASP A 41 -0.026 -12.153 -3.452 1.00 0.00 H new ATOM 0 HA ASP A 41 0.474 -9.455 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.453 -10.431 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.483 -8.972 -4.729 1.00 0.00 H new ATOM 594 N ASN A 42 -2.372 -10.648 -1.732 1.00 0.00 N ATOM 595 CA ASN A 42 -3.643 -10.312 -1.031 1.00 0.00 C ATOM 596 C ASN A 42 -3.443 -10.388 0.486 1.00 0.00 C ATOM 597 O ASN A 42 -3.403 -11.456 1.063 1.00 0.00 O ATOM 598 CB ASN A 42 -4.642 -11.370 -1.497 1.00 0.00 C ATOM 599 CG ASN A 42 -5.746 -10.703 -2.319 1.00 0.00 C ATOM 600 OD1 ASN A 42 -5.760 -9.497 -2.473 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.677 -11.439 -2.860 1.00 0.00 N ATOM 0 H ASN A 42 -2.171 -11.645 -1.813 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.987 -9.302 -1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.134 -12.126 -2.096 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.073 -11.882 -0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.416 -11.003 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.666 -12.451 -2.731 1.00 0.00 H new ATOM 608 N HIS A 43 -3.313 -9.263 1.138 1.00 0.00 N ATOM 609 CA HIS A 43 -3.113 -9.277 2.615 1.00 0.00 C ATOM 610 C HIS A 43 -3.883 -8.130 3.268 1.00 0.00 C ATOM 611 O HIS A 43 -4.473 -7.302 2.603 1.00 0.00 O ATOM 612 CB HIS A 43 -1.607 -9.096 2.830 1.00 0.00 C ATOM 613 CG HIS A 43 -1.043 -8.112 1.835 1.00 0.00 C ATOM 614 ND1 HIS A 43 -0.931 -6.755 2.109 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.523 -8.282 0.576 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.357 -6.169 1.037 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.092 -7.056 0.075 1.00 0.00 N ATOM 0 H HIS A 43 -3.337 -8.337 0.712 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.477 -10.203 3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.419 -8.744 3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.101 -10.056 2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.458 -9.225 0.053 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.139 -5.114 0.966 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.335 -6.874 -0.833 1.00 0.00 H new ATOM 625 N SER A 44 -3.874 -8.075 4.570 1.00 0.00 N ATOM 626 CA SER A 44 -4.597 -6.980 5.274 1.00 0.00 C ATOM 627 C SER A 44 -3.760 -5.701 5.239 1.00 0.00 C ATOM 628 O SER A 44 -2.593 -5.703 5.574 1.00 0.00 O ATOM 629 CB SER A 44 -4.764 -7.471 6.711 1.00 0.00 C ATOM 630 OG SER A 44 -3.605 -8.197 7.099 1.00 0.00 O ATOM 0 H SER A 44 -3.397 -8.741 5.178 1.00 0.00 H new ATOM 0 HA SER A 44 -5.557 -6.751 4.811 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.918 -6.625 7.381 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.647 -8.105 6.790 1.00 0.00 H new ATOM 0 HG SER A 44 -2.804 -7.718 6.800 1.00 0.00 H new ATOM 636 N CYS A 45 -4.344 -4.607 4.836 1.00 0.00 N ATOM 637 CA CYS A 45 -3.569 -3.334 4.785 1.00 0.00 C ATOM 638 C CYS A 45 -4.240 -2.266 5.649 1.00 0.00 C ATOM 639 O CYS A 45 -5.293 -2.479 6.227 1.00 0.00 O ATOM 640 CB CYS A 45 -3.557 -2.913 3.314 1.00 0.00 C ATOM 641 SG CYS A 45 -5.211 -3.095 2.603 1.00 0.00 S ATOM 0 H CYS A 45 -5.318 -4.538 4.541 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.557 -3.462 5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.227 -1.878 3.226 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.845 -3.523 2.759 1.00 0.00 H new ATOM 646 N ALA A 46 -3.630 -1.118 5.748 1.00 0.00 N ATOM 647 CA ALA A 46 -4.216 -0.038 6.587 1.00 0.00 C ATOM 648 C ALA A 46 -4.615 -0.616 7.945 1.00 0.00 C ATOM 649 O ALA A 46 -5.632 -0.268 8.509 1.00 0.00 O ATOM 650 CB ALA A 46 -5.450 0.441 5.821 1.00 0.00 C ATOM 0 H ALA A 46 -2.752 -0.882 5.285 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.519 0.780 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.937 1.240 6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.149 0.814 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.145 -0.389 5.695 1.00 0.00 H new ATOM 656 N GLY A 47 -3.822 -1.515 8.464 1.00 0.00 N ATOM 657 CA GLY A 47 -4.156 -2.134 9.777 1.00 0.00 C ATOM 658 C GLY A 47 -5.366 -3.049 9.592 1.00 0.00 C ATOM 659 O GLY A 47 -5.564 -3.621 8.539 1.00 0.00 O ATOM 0 H GLY A 47 -2.958 -1.847 8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.306 -2.703 10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.375 -1.362 10.514 1.00 0.00 H new ATOM 663 N ASN A 48 -6.183 -3.186 10.598 1.00 0.00 N ATOM 664 CA ASN A 48 -7.379 -4.056 10.462 1.00 0.00 C ATOM 665 C ASN A 48 -8.550 -3.248 9.895 1.00 0.00 C ATOM 666 O ASN A 48 -9.701 -3.552 10.134 1.00 0.00 O ATOM 667 CB ASN A 48 -7.690 -4.532 11.881 1.00 0.00 C ATOM 668 CG ASN A 48 -8.218 -3.360 12.710 1.00 0.00 C ATOM 669 OD1 ASN A 48 -9.201 -2.742 12.352 1.00 0.00 O ATOM 670 ND2 ASN A 48 -7.602 -3.026 13.810 1.00 0.00 N ATOM 0 H ASN A 48 -6.073 -2.734 11.506 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.209 -4.893 9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.429 -5.333 11.853 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.792 -4.942 12.343 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.945 -2.246 14.370 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.777 -3.545 14.110 1.00 0.00 H new ATOM 677 N ARG A 49 -8.262 -2.212 9.151 1.00 0.00 N ATOM 678 CA ARG A 49 -9.354 -1.379 8.577 1.00 0.00 C ATOM 679 C ARG A 49 -9.510 -1.648 7.078 1.00 0.00 C ATOM 680 O ARG A 49 -10.585 -1.518 6.527 1.00 0.00 O ATOM 681 CB ARG A 49 -8.912 0.063 8.818 1.00 0.00 C ATOM 682 CG ARG A 49 -9.236 0.458 10.259 1.00 0.00 C ATOM 683 CD ARG A 49 -9.923 1.826 10.273 1.00 0.00 C ATOM 684 NE ARG A 49 -8.814 2.810 10.421 1.00 0.00 N ATOM 685 CZ ARG A 49 -9.063 4.090 10.361 1.00 0.00 C ATOM 686 NH1 ARG A 49 -10.032 4.531 9.606 1.00 0.00 N ATOM 687 NH2 ARG A 49 -8.344 4.928 11.056 1.00 0.00 N ATOM 0 H ARG A 49 -7.317 -1.909 8.917 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.319 -1.598 9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.842 0.163 8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.419 0.732 8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.884 -0.290 10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.322 0.492 10.852 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.483 1.997 9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.633 1.903 11.097 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.859 2.483 10.569 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.594 3.876 9.063 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.227 5.531 9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.587 4.583 11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.539 5.928 11.009 1.00 0.00 H new ATOM 701 N GLY A 50 -8.451 -2.016 6.408 1.00 0.00 N ATOM 702 CA GLY A 50 -8.566 -2.281 4.947 1.00 0.00 C ATOM 703 C GLY A 50 -8.008 -3.669 4.624 1.00 0.00 C ATOM 704 O GLY A 50 -7.282 -4.258 5.399 1.00 0.00 O ATOM 0 H GLY A 50 -7.520 -2.143 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.609 -2.218 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.021 -1.521 4.387 1.00 0.00 H new ATOM 708 N TRP A 51 -8.351 -4.194 3.478 1.00 0.00 N ATOM 709 CA TRP A 51 -7.852 -5.547 3.086 1.00 0.00 C ATOM 710 C TRP A 51 -7.439 -5.532 1.611 1.00 0.00 C ATOM 711 O TRP A 51 -7.686 -4.577 0.908 1.00 0.00 O ATOM 712 CB TRP A 51 -9.047 -6.477 3.299 1.00 0.00 C ATOM 713 CG TRP A 51 -8.873 -7.257 4.563 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.651 -7.135 5.663 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.881 -8.277 4.877 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.202 -8.014 6.631 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.112 -8.741 6.194 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.815 -8.840 4.154 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.313 -9.727 6.773 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -6.009 -9.833 4.734 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.258 -10.276 6.041 1.00 0.00 C ATOM 0 H TRP A 51 -8.958 -3.743 2.793 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.983 -5.863 3.663 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.967 -5.894 3.346 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.143 -7.158 2.453 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.488 -6.460 5.768 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.624 -8.113 7.554 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.615 -8.507 3.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.509 -10.063 7.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.192 -10.258 4.170 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.635 -11.041 6.481 1.00 0.00 H new ATOM 732 N CYS A 52 -6.809 -6.570 1.128 1.00 0.00 N ATOM 733 CA CYS A 52 -6.393 -6.578 -0.305 1.00 0.00 C ATOM 734 C CYS A 52 -7.293 -7.505 -1.127 1.00 0.00 C ATOM 735 O CYS A 52 -7.318 -8.704 -0.928 1.00 0.00 O ATOM 736 CB CYS A 52 -4.962 -7.100 -0.295 1.00 0.00 C ATOM 737 SG CYS A 52 -4.107 -6.544 -1.788 1.00 0.00 S ATOM 0 H CYS A 52 -6.566 -7.406 1.659 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.470 -5.589 -0.756 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.439 -6.741 0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.961 -8.189 -0.247 1.00 0.00 H new ATOM 742 N ARG A 53 -8.026 -6.956 -2.057 1.00 0.00 N ATOM 743 CA ARG A 53 -8.922 -7.795 -2.907 1.00 0.00 C ATOM 744 C ARG A 53 -8.752 -7.408 -4.378 1.00 0.00 C ATOM 745 O ARG A 53 -8.377 -6.296 -4.691 1.00 0.00 O ATOM 746 CB ARG A 53 -10.343 -7.458 -2.447 1.00 0.00 C ATOM 747 CG ARG A 53 -10.473 -7.651 -0.938 1.00 0.00 C ATOM 748 CD ARG A 53 -11.093 -6.393 -0.334 1.00 0.00 C ATOM 749 NE ARG A 53 -11.246 -6.693 1.116 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.908 -7.752 1.496 1.00 0.00 C ATOM 751 NH1 ARG A 53 -13.165 -7.888 1.173 1.00 0.00 N ATOM 752 NH2 ARG A 53 -11.314 -8.676 2.203 1.00 0.00 N ATOM 0 H ARG A 53 -8.044 -5.958 -2.266 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.699 -8.858 -2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.583 -6.428 -2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.060 -8.095 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.094 -8.520 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.495 -7.840 -0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.454 -5.524 -0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.055 -6.168 -0.794 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.834 -6.072 1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.631 -7.166 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.681 -8.716 1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.332 -8.570 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.832 -9.503 2.500 1.00 0.00 H new ATOM 766 N SER A 54 -9.041 -8.299 -5.288 1.00 0.00 N ATOM 767 CA SER A 54 -8.906 -7.946 -6.728 1.00 0.00 C ATOM 768 C SER A 54 -9.741 -6.701 -7.008 1.00 0.00 C ATOM 769 O SER A 54 -9.248 -5.689 -7.464 1.00 0.00 O ATOM 770 CB SER A 54 -9.455 -9.152 -7.488 1.00 0.00 C ATOM 771 OG SER A 54 -9.990 -8.721 -8.732 1.00 0.00 O ATOM 0 H SER A 54 -9.362 -9.248 -5.098 1.00 0.00 H new ATOM 0 HA SER A 54 -7.879 -7.730 -7.023 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.663 -9.883 -7.653 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.227 -9.646 -6.899 1.00 0.00 H new ATOM 0 HG SER A 54 -10.342 -9.493 -9.222 1.00 0.00 H new ATOM 777 N LYS A 55 -11.005 -6.774 -6.716 1.00 0.00 N ATOM 778 CA LYS A 55 -11.899 -5.611 -6.929 1.00 0.00 C ATOM 779 C LYS A 55 -12.677 -5.345 -5.638 1.00 0.00 C ATOM 780 O LYS A 55 -12.338 -5.856 -4.590 1.00 0.00 O ATOM 781 CB LYS A 55 -12.841 -6.049 -8.045 1.00 0.00 C ATOM 782 CG LYS A 55 -13.465 -7.401 -7.688 1.00 0.00 C ATOM 783 CD LYS A 55 -12.815 -8.503 -8.526 1.00 0.00 C ATOM 784 CE LYS A 55 -13.904 -9.371 -9.162 1.00 0.00 C ATOM 785 NZ LYS A 55 -13.586 -10.761 -8.735 1.00 0.00 N ATOM 0 H LYS A 55 -11.462 -7.602 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.366 -4.696 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.622 -5.303 -8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.296 -6.125 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.327 -7.608 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.539 -7.377 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.187 -8.063 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.166 -9.116 -7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.896 -9.071 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.897 -9.280 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.290 -11.416 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.639 -11.021 -9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.607 -10.819 -7.697 1.00 0.00 H new ATOM 799 N CYS A 56 -13.721 -4.564 -5.692 1.00 0.00 N ATOM 800 CA CYS A 56 -14.499 -4.299 -4.446 1.00 0.00 C ATOM 801 C CYS A 56 -15.877 -3.715 -4.770 1.00 0.00 C ATOM 802 O CYS A 56 -16.187 -3.414 -5.906 1.00 0.00 O ATOM 803 CB CYS A 56 -13.656 -3.298 -3.657 1.00 0.00 C ATOM 804 SG CYS A 56 -12.663 -4.194 -2.438 1.00 0.00 S ATOM 0 H CYS A 56 -14.067 -4.102 -6.533 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.683 -5.213 -3.882 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.008 -2.738 -4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.300 -2.574 -3.159 1.00 0.00 H new ATOM 809 N PHE A 57 -16.708 -3.562 -3.774 1.00 0.00 N ATOM 810 CA PHE A 57 -18.072 -3.009 -4.005 1.00 0.00 C ATOM 811 C PHE A 57 -18.018 -1.485 -4.132 1.00 0.00 C ATOM 812 O PHE A 57 -16.966 -0.881 -4.060 1.00 0.00 O ATOM 813 CB PHE A 57 -18.867 -3.412 -2.763 1.00 0.00 C ATOM 814 CG PHE A 57 -18.714 -4.895 -2.526 1.00 0.00 C ATOM 815 CD1 PHE A 57 -19.477 -5.805 -3.268 1.00 0.00 C ATOM 816 CD2 PHE A 57 -17.809 -5.362 -1.565 1.00 0.00 C ATOM 817 CE1 PHE A 57 -19.336 -7.180 -3.049 1.00 0.00 C ATOM 818 CE2 PHE A 57 -17.668 -6.737 -1.346 1.00 0.00 C ATOM 819 CZ PHE A 57 -18.431 -7.646 -2.089 1.00 0.00 C ATOM 0 H PHE A 57 -16.498 -3.798 -2.804 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.520 -3.385 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.513 -2.856 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -19.919 -3.161 -2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -20.175 -5.445 -4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.220 -4.661 -0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.926 -7.881 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.971 -7.097 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.321 -8.707 -1.921 1.00 0.00 H new ATOM 829 N ARG A 58 -19.147 -0.856 -4.324 1.00 0.00 N ATOM 830 CA ARG A 58 -19.165 0.623 -4.459 1.00 0.00 C ATOM 831 C ARG A 58 -19.165 1.283 -3.080 1.00 0.00 C ATOM 832 O ARG A 58 -18.495 2.272 -2.858 1.00 0.00 O ATOM 833 CB ARG A 58 -20.458 0.940 -5.209 1.00 0.00 C ATOM 834 CG ARG A 58 -20.244 2.164 -6.104 1.00 0.00 C ATOM 835 CD ARG A 58 -20.504 1.782 -7.563 1.00 0.00 C ATOM 836 NE ARG A 58 -21.358 2.877 -8.100 1.00 0.00 N ATOM 837 CZ ARG A 58 -22.141 2.653 -9.118 1.00 0.00 C ATOM 838 NH1 ARG A 58 -22.967 1.642 -9.096 1.00 0.00 N ATOM 839 NH2 ARG A 58 -22.099 3.438 -10.159 1.00 0.00 N ATOM 0 H ARG A 58 -20.059 -1.308 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.288 0.998 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -20.760 0.084 -5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.264 1.131 -4.501 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -20.914 2.969 -5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.226 2.537 -5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -19.572 1.698 -8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -21.007 0.818 -7.635 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.330 3.802 -7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -23.000 1.028 -8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -23.580 1.467 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -21.453 4.227 -10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -22.712 3.262 -10.955 1.00 0.00 H new ATOM 853 N HIS A 59 -19.900 0.742 -2.150 1.00 0.00 N ATOM 854 CA HIS A 59 -19.927 1.340 -0.787 1.00 0.00 C ATOM 855 C HIS A 59 -18.500 1.432 -0.239 1.00 0.00 C ATOM 856 O HIS A 59 -18.229 2.152 0.701 1.00 0.00 O ATOM 857 CB HIS A 59 -20.768 0.379 0.054 1.00 0.00 C ATOM 858 CG HIS A 59 -22.141 0.960 0.253 1.00 0.00 C ATOM 859 ND1 HIS A 59 -22.623 1.305 1.505 1.00 0.00 N ATOM 860 CD2 HIS A 59 -23.144 1.265 -0.632 1.00 0.00 C ATOM 861 CE1 HIS A 59 -23.866 1.793 1.340 1.00 0.00 C ATOM 862 NE2 HIS A 59 -24.233 1.791 0.056 1.00 0.00 N ATOM 0 H HIS A 59 -20.482 -0.086 -2.274 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.342 2.348 -0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.839 -0.589 -0.442 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.290 0.209 1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -23.096 1.119 -1.701 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -24.491 2.144 2.148 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -25.120 2.107 -0.336 1.00 0.00 H new ATOM 870 N GLU A 60 -17.587 0.710 -0.830 1.00 0.00 N ATOM 871 CA GLU A 60 -16.176 0.751 -0.361 1.00 0.00 C ATOM 872 C GLU A 60 -15.285 1.313 -1.469 1.00 0.00 C ATOM 873 O GLU A 60 -15.744 1.605 -2.555 1.00 0.00 O ATOM 874 CB GLU A 60 -15.821 -0.710 -0.085 1.00 0.00 C ATOM 875 CG GLU A 60 -16.401 -1.137 1.264 1.00 0.00 C ATOM 876 CD GLU A 60 -15.349 -1.925 2.045 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.505 -2.538 1.412 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.405 -1.903 3.264 1.00 0.00 O ATOM 0 H GLU A 60 -17.761 0.091 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.039 1.381 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.214 -1.346 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.738 -0.837 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.710 -0.260 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.290 -1.749 1.112 1.00 0.00 H new ATOM 885 N TYR A 61 -14.014 1.454 -1.216 1.00 0.00 N ATOM 886 CA TYR A 61 -13.110 1.984 -2.277 1.00 0.00 C ATOM 887 C TYR A 61 -11.749 1.308 -2.195 1.00 0.00 C ATOM 888 O TYR A 61 -11.582 0.293 -1.553 1.00 0.00 O ATOM 889 CB TYR A 61 -12.976 3.487 -2.014 1.00 0.00 C ATOM 890 CG TYR A 61 -12.077 3.735 -0.822 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.462 3.294 0.448 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.860 4.415 -0.985 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.640 3.530 1.555 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.037 4.649 0.124 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.428 4.209 1.393 1.00 0.00 C ATOM 896 OH TYR A 61 -9.616 4.442 2.484 1.00 0.00 O ATOM 0 H TYR A 61 -13.564 1.228 -0.329 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.509 1.791 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.568 3.982 -2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.960 3.920 -1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.397 2.769 0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.559 4.757 -1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.941 3.188 2.534 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.099 5.170 -0.001 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.813 4.924 2.197 1.00 0.00 H new ATOM 906 N VAL A 62 -10.777 1.875 -2.842 1.00 0.00 N ATOM 907 CA VAL A 62 -9.412 1.287 -2.813 1.00 0.00 C ATOM 908 C VAL A 62 -8.414 2.351 -2.360 1.00 0.00 C ATOM 909 O VAL A 62 -7.989 3.176 -3.141 1.00 0.00 O ATOM 910 CB VAL A 62 -9.135 0.861 -4.256 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.636 0.612 -4.439 1.00 0.00 C ATOM 912 CG2 VAL A 62 -9.907 -0.425 -4.566 1.00 0.00 C ATOM 0 H VAL A 62 -10.868 2.727 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.325 0.446 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.456 1.651 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.440 0.309 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.086 1.527 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.313 -0.177 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.710 -0.729 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.586 -1.215 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.975 -0.248 -4.438 1.00 0.00 H new ATOM 922 N ASP A 63 -8.050 2.350 -1.104 1.00 0.00 N ATOM 923 CA ASP A 63 -7.087 3.378 -0.609 1.00 0.00 C ATOM 924 C ASP A 63 -5.881 3.457 -1.542 1.00 0.00 C ATOM 925 O ASP A 63 -4.893 2.775 -1.363 1.00 0.00 O ATOM 926 CB ASP A 63 -6.665 2.920 0.790 1.00 0.00 C ATOM 927 CG ASP A 63 -6.497 1.401 0.817 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.673 0.902 0.069 1.00 0.00 O ATOM 929 OD2 ASP A 63 -7.199 0.763 1.584 1.00 0.00 O ATOM 0 H ASP A 63 -8.376 1.685 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.534 4.372 -0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.729 3.402 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.413 3.224 1.522 1.00 0.00 H new ATOM 934 N THR A 64 -5.965 4.289 -2.541 1.00 0.00 N ATOM 935 CA THR A 64 -4.833 4.423 -3.505 1.00 0.00 C ATOM 936 C THR A 64 -3.493 4.418 -2.762 1.00 0.00 C ATOM 937 O THR A 64 -2.472 4.050 -3.308 1.00 0.00 O ATOM 938 CB THR A 64 -5.058 5.768 -4.195 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.794 6.624 -3.332 1.00 0.00 O ATOM 940 CG2 THR A 64 -5.841 5.553 -5.492 1.00 0.00 C ATOM 0 H THR A 64 -6.770 4.885 -2.734 1.00 0.00 H new ATOM 0 HA THR A 64 -4.801 3.598 -4.217 1.00 0.00 H new ATOM 0 HB THR A 64 -4.095 6.224 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.938 7.488 -3.772 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.001 6.513 -5.984 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.276 4.896 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.804 5.097 -5.264 1.00 0.00 H new ATOM 948 N TYR A 65 -3.486 4.831 -1.524 1.00 0.00 N ATOM 949 CA TYR A 65 -2.211 4.857 -0.752 1.00 0.00 C ATOM 950 C TYR A 65 -1.718 3.434 -0.465 1.00 0.00 C ATOM 951 O TYR A 65 -0.582 3.096 -0.737 1.00 0.00 O ATOM 952 CB TYR A 65 -2.558 5.570 0.555 1.00 0.00 C ATOM 953 CG TYR A 65 -1.292 6.082 1.199 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.459 5.204 1.901 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.952 7.436 1.095 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.715 5.678 2.499 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.222 7.911 1.692 1.00 0.00 C ATOM 958 CZ TYR A 65 1.055 7.033 2.394 1.00 0.00 C ATOM 959 OH TYR A 65 2.212 7.501 2.984 1.00 0.00 O ATOM 0 H TYR A 65 -4.309 5.152 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.414 5.359 -1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.240 6.397 0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.071 4.885 1.230 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.722 4.160 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.595 8.114 0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.358 5.000 3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.485 8.955 1.611 1.00 0.00 H new ATOM 0 HH TYR A 65 2.299 8.462 2.815 1.00 0.00 H new ATOM 969 N TYR A 66 -2.555 2.601 0.093 1.00 0.00 N ATOM 970 CA TYR A 66 -2.120 1.209 0.408 1.00 0.00 C ATOM 971 C TYR A 66 -2.192 0.316 -0.836 1.00 0.00 C ATOM 972 O TYR A 66 -1.697 -0.796 -0.842 1.00 0.00 O ATOM 973 CB TYR A 66 -3.090 0.728 1.486 1.00 0.00 C ATOM 974 CG TYR A 66 -2.527 1.076 2.842 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.620 0.211 3.466 1.00 0.00 C ATOM 976 CD2 TYR A 66 -2.904 2.268 3.472 1.00 0.00 C ATOM 977 CE1 TYR A 66 -1.091 0.536 4.719 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.375 2.594 4.727 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.468 1.728 5.350 1.00 0.00 C ATOM 980 OH TYR A 66 -0.944 2.049 6.586 1.00 0.00 O ATOM 0 H TYR A 66 -3.518 2.823 0.344 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.084 1.171 0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.065 1.196 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.239 -0.349 1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.329 -0.708 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.603 2.936 2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.392 -0.132 5.200 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.666 3.513 5.214 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.308 2.909 6.882 1.00 0.00 H new ATOM 990 N SER A 67 -2.788 0.793 -1.894 1.00 0.00 N ATOM 991 CA SER A 67 -2.866 -0.035 -3.131 1.00 0.00 C ATOM 992 C SER A 67 -1.476 -0.585 -3.462 1.00 0.00 C ATOM 993 O SER A 67 -1.333 -1.581 -4.143 1.00 0.00 O ATOM 994 CB SER A 67 -3.338 0.926 -4.223 1.00 0.00 C ATOM 995 OG SER A 67 -3.806 0.178 -5.337 1.00 0.00 O ATOM 0 H SER A 67 -3.222 1.714 -1.956 1.00 0.00 H new ATOM 0 HA SER A 67 -3.539 -0.886 -3.027 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.133 1.567 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.520 1.579 -4.527 1.00 0.00 H new ATOM 0 HG SER A 67 -4.111 0.791 -6.038 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.449 0.064 -2.979 1.00 0.00 N ATOM 1002 CA ALA A 68 0.937 -0.407 -3.256 1.00 0.00 C ATOM 1003 C ALA A 68 1.196 -1.753 -2.573 1.00 0.00 C ATOM 1004 O ALA A 68 1.324 -2.772 -3.224 1.00 0.00 O ATOM 1005 CB ALA A 68 1.844 0.674 -2.668 1.00 0.00 C ATOM 0 H ALA A 68 -0.513 0.903 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 68 1.113 -0.558 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.887 0.402 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.637 1.627 -3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.655 0.765 -1.598 1.00 0.00 H new ATOM 1011 N VAL A 69 1.284 -1.774 -1.267 1.00 0.00 N ATOM 1012 CA VAL A 69 1.544 -3.068 -0.570 1.00 0.00 C ATOM 1013 C VAL A 69 0.641 -4.154 -1.151 1.00 0.00 C ATOM 1014 O VAL A 69 0.999 -5.314 -1.196 1.00 0.00 O ATOM 1015 CB VAL A 69 1.231 -2.817 0.910 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.274 -2.694 1.122 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.769 -3.975 1.750 1.00 0.00 C ATOM 0 H VAL A 69 1.188 -0.960 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 69 2.572 -3.407 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 69 1.708 -1.886 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.479 -2.516 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.658 -1.861 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.762 -3.616 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.546 -3.796 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.297 -4.905 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.848 -4.051 1.616 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.525 -3.786 -1.604 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.447 -4.799 -2.191 1.00 0.00 C ATOM 1029 C CYS A 70 -0.794 -5.465 -3.403 1.00 0.00 C ATOM 1030 O CYS A 70 -0.690 -6.673 -3.480 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.684 -4.010 -2.613 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.096 -4.533 -1.615 1.00 0.00 S ATOM 0 H CYS A 70 -0.879 -2.830 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.693 -5.593 -1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.509 -2.942 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.891 -4.174 -3.671 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.348 -4.686 -4.351 1.00 0.00 N ATOM 1038 CA GLY A 71 0.302 -5.276 -5.554 1.00 0.00 C ATOM 1039 C GLY A 71 -0.723 -5.408 -6.682 1.00 0.00 C ATOM 1040 O GLY A 71 -1.541 -4.533 -6.896 1.00 0.00 O ATOM 0 H GLY A 71 -0.406 -3.668 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.132 -4.647 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.718 -6.254 -5.312 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.686 -6.493 -7.405 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.656 -6.683 -8.520 1.00 0.00 C ATOM 1046 C ARG A 72 -3.084 -6.429 -8.030 1.00 0.00 C ATOM 1047 O ARG A 72 -3.969 -6.118 -8.803 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.486 -8.140 -8.944 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.128 -8.319 -9.626 1.00 0.00 C ATOM 1050 CD ARG A 72 -0.170 -9.548 -10.536 1.00 0.00 C ATOM 1051 NE ARG A 72 0.960 -9.359 -11.487 1.00 0.00 N ATOM 1052 CZ ARG A 72 0.956 -9.974 -12.637 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -0.156 -10.097 -13.308 1.00 0.00 N ATOM 1054 NH2 ARG A 72 2.065 -10.466 -13.118 1.00 0.00 N ATOM 0 H ARG A 72 -0.024 -7.258 -7.271 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.478 -5.993 -9.345 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.557 -8.793 -8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.287 -8.427 -9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.118 -7.431 -10.208 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.655 -8.435 -8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.055 -10.468 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.122 -9.618 -11.062 1.00 0.00 H new ATOM 0 HE ARG A 72 1.738 -8.748 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.023 -9.712 -12.933 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.158 -10.578 -14.207 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.935 -10.370 -12.594 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.062 -10.947 -14.017 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.315 -6.559 -6.753 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.687 -6.325 -6.218 1.00 0.00 C ATOM 1070 C TYR A 73 -4.830 -4.881 -5.731 1.00 0.00 C ATOM 1071 O TYR A 73 -3.970 -4.050 -5.945 1.00 0.00 O ATOM 1072 CB TYR A 73 -4.831 -7.289 -5.038 1.00 0.00 C ATOM 1073 CG TYR A 73 -4.978 -8.713 -5.527 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -5.671 -8.989 -6.714 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -4.425 -9.760 -4.783 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -5.808 -10.311 -7.152 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -4.563 -11.082 -5.221 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.254 -11.358 -6.405 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.392 -12.662 -6.838 1.00 0.00 O ATOM 0 H TYR A 73 -2.615 -6.817 -6.057 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.450 -6.488 -6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.959 -7.210 -4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.700 -7.013 -4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.099 -8.182 -7.290 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.890 -9.548 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.341 -10.524 -8.067 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.136 -11.889 -4.645 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.949 -13.265 -6.206 1.00 0.00 H new ATOM 1089 N PHE A 74 -5.912 -4.587 -5.066 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.128 -3.208 -4.546 1.00 0.00 C ATOM 1091 C PHE A 74 -6.494 -3.267 -3.066 1.00 0.00 C ATOM 1092 O PHE A 74 -7.336 -4.042 -2.658 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.308 -2.650 -5.340 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.022 -2.724 -6.816 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.128 -3.945 -7.487 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.666 -1.567 -7.517 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -6.879 -4.014 -8.861 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.415 -1.632 -8.890 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.521 -2.856 -9.564 1.00 0.00 C ATOM 0 H PHE A 74 -6.661 -5.247 -4.859 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.235 -2.591 -4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.211 -3.214 -5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.495 -1.616 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.403 -4.837 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.585 -0.624 -6.997 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.962 -4.958 -9.379 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.139 -0.739 -9.432 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.327 -2.907 -10.625 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.886 -2.452 -2.258 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.225 -2.468 -0.811 1.00 0.00 C ATOM 1111 C CYS A 75 -7.516 -1.680 -0.588 1.00 0.00 C ATOM 1112 O CYS A 75 -7.516 -0.465 -0.587 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.046 -1.784 -0.117 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.501 -1.376 1.587 1.00 0.00 S ATOM 0 H CYS A 75 -5.172 -1.778 -2.533 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.385 -3.474 -0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.176 -2.440 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.768 -0.879 -0.657 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.623 -2.350 -0.416 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.891 -1.606 -0.211 1.00 0.00 C ATOM 1121 C CYS A 76 -9.986 -1.106 1.223 1.00 0.00 C ATOM 1122 O CYS A 76 -9.238 -1.508 2.093 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.015 -2.596 -0.488 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.991 -3.082 -2.231 1.00 0.00 S ATOM 0 H CYS A 76 -8.701 -3.367 -0.409 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.948 -0.738 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.901 -3.476 0.146 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.977 -2.147 -0.240 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.912 -0.231 1.464 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.092 0.322 2.830 1.00 0.00 C ATOM 1131 C ARG A 77 -12.487 0.932 2.957 1.00 0.00 C ATOM 1132 O ARG A 77 -13.182 1.129 1.976 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.019 1.401 2.962 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.967 0.958 3.980 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.341 2.194 4.630 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.471 2.874 5.320 1.00 0.00 N ATOM 1137 CZ ARG A 77 -9.262 3.981 5.977 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -8.048 4.325 6.310 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -10.269 4.745 6.305 1.00 0.00 N ATOM 0 H ARG A 77 -11.561 0.130 0.765 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.000 -0.437 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.550 1.582 1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.471 2.341 3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.424 0.325 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.198 0.362 3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.557 1.916 5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.884 2.844 3.884 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.409 2.474 5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.261 3.728 6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.886 5.191 6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.219 4.476 6.047 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.106 5.611 6.819 1.00 0.00 H new ATOM 1153 N SER A 78 -12.901 1.235 4.154 1.00 0.00 N ATOM 1154 CA SER A 78 -14.250 1.838 4.340 1.00 0.00 C ATOM 1155 C SER A 78 -14.128 3.347 4.566 1.00 0.00 C ATOM 1156 O SER A 78 -13.787 3.798 5.641 1.00 0.00 O ATOM 1157 CB SER A 78 -14.824 1.154 5.580 1.00 0.00 C ATOM 1158 OG SER A 78 -13.759 0.790 6.449 1.00 0.00 O ATOM 0 H SER A 78 -12.366 1.092 5.010 1.00 0.00 H new ATOM 0 HA SER A 78 -14.888 1.699 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.515 1.824 6.092 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.392 0.270 5.292 1.00 0.00 H new ATOM 0 HG SER A 78 -14.123 0.352 7.247 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.405 4.131 3.559 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.304 5.611 3.719 1.00 0.00 C ATOM 1166 C ARG A 79 -15.428 6.123 4.624 1.00 0.00 C ATOM 1167 O ARG A 79 -15.432 7.307 4.917 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.455 6.177 2.306 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.281 7.109 2.000 1.00 0.00 C ATOM 1170 CD ARG A 79 -13.476 7.739 0.619 1.00 0.00 C ATOM 1171 NE ARG A 79 -12.705 9.013 0.663 1.00 0.00 N ATOM 1172 CZ ARG A 79 -11.592 9.126 -0.008 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -11.512 8.662 -1.225 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -10.557 9.703 0.539 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.265 5.322 5.008 1.00 0.00 O ATOM 0 H ARG A 79 -14.696 3.812 2.635 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.363 5.912 4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.487 5.365 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.396 6.720 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.213 7.887 2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.344 6.553 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.108 7.082 -0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.531 7.923 0.415 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.048 9.797 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.320 8.210 -1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.641 8.751 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.619 10.065 1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.686 9.792 0.015 1.00 0.00 H new TER 1189 ARG A 79